Molecule FYI-1014339

A

Molecule Summary:

ID: FYI-1014339
Names:
InChIKey: FRQHYVBVIIKNCM-UHFFFAOYSA-O
SMILES: CCCCN(CC)c4cc(OC)c(C3c1ccc(N(C)C)cc1[OH+]c2cc(N(C)C)ccc23)cc4N(C)C

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014339 Edit

Molecule Structure InChIKey: FRQHYVBVIIKNCM-UHFFFAOYSA-O

Molecule Structure SMILES String: CCCCN(CC)c4cc(OC)c(C3c1ccc(N(C)C)cc1[OH+]c2cc(N(C)C)ccc23)cc4N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014339
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 21  1  0  0  0  0
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 23 24  2  0  0  0  0
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 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014339-3D
FYIcenter.com

 83 86  0  0  0  0  0  0  0  0999 V2000
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    9.0815    2.4812    0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3456    3.8301    3.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4823    3.9827    4.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7046    4.5090    5.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7564    4.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1239    6.1677    5.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-04-11, 817👍, 0💬